[1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C21H33N5O — CID 155542518

IUPAC[1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(c3cc(NC4CCCC4)ncn3)CC2)CC1
InChIInChI=1S/C21H33N5O/c1-16-6-10-26(11-7-16)21(27)17-8-12-25(13-9-17)20-14-19(22-15-23-20)24-18-4-2-3-5-18/h14-18H,2-13H2,1H3,(H,22,23,24)
InChIKeyXWZINWNFTPUTAG-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.31
Rot. Bonds4

About [1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 155542518) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is [1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID155542518
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name[1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(c3cc(NC4CCCC4)ncn3)CC2)CC1
InChIInChI=1S/C21H33N5O/c1-16-6-10-26(11-7-16)21(27)17-8-12-25(13-9-17)20-14-19(22-15-23-20)24-18-4-2-3-5-18/h14-18H,2-13H2,1H3,(H,22,23,24)
InChIKeyXWZINWNFTPUTAG-UHFFFAOYSA-N
XLogP3.31
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 155542518) is [1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCN(c3cc(NC4CCCC4)ncn3)CC2)CC1.
What is the InChIKey of [1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is XWZINWNFTPUTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-16-6-10-26(11-7-16)21(27)17-8-12-25(13-9-17)20-14-19(22-15-23-20)24-18-4-2-3-5-18/h14-18H,2-13H2,1H3,(H,22,23,24).
What are the key properties of [1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 371.53 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 155542518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).